el1:  Si
struct:  diamond
lp:  5.431
ecoh:  4.63
surf:  111
size:  (1.0, 1.0, 8.0)
vacuum:  4.0
orig
n1: 8
ene1: -35.040532
ene1pa: -4.3800665
esub: -4.63
sarea1:  12.772039165
esurff1:  1254.10696003  mJ/m^2
relaxed
ene2m: -35.133855
ene2mpa: -4.391731875
sarea2:  12.772039165
esurff2m:  1195.57287804  mJ/m^2
